CAS 934-98-5|2-(4-methylpiperazin-1-yl)ethanamine|2-(4-Methyl-piperazin-1-yl)-ethylamine|2-(4-methylpiperazin-1-yl)ethan-1-amine|2-(4-methylpiperazin-1-yl)ethanamine|[2-(4-methylpiperazin-1-yl)ethyl...

General Information

Structure

Molecular Formula

C₇H₁₇N₃

Molecular Mass

143.22998

Exact Mass

143.14224756

Charge

InChI

InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3

InChIKey

GOWUDHPKGOIDIX-UHFFFAOYSA-N

Canonic Smiles

NCCN1CCN(CC1)C

Isomeric Smiles

N1(CCN(CC1)CCN)C

Calculated Properties

JChem

LogD (pH = 7.4)

-3.23

LogD (pH = 5.5)

-5.99

Log P

-0.76

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

9.39

Polar Surface Area

32.50

Polarizability

17.25

Molar Refractivity

43.99

LOG S

1.31

Data Source

Names and Identifiers

IUPAC Traditional name

2-(4-methylpiperazin-1-yl)ethanamine

Synonyms

2-(4-Methyl-piperazin-1-yl)-ethylamine2-(4-methylpiperazin-1-yl)ethanamine[2-(4-methylpiperazin-1-yl)ethyl]amine trihydrochloride1-(2-Aminoethyl)-4-methylpiperazine2-(4-Methylpiperazin-1-yl)ethylamine1-Amino-2-(4-methylpiperazin-1-yl)ethane1-(2-Aminoethyl)-4-methylpiperazine2-(4-Methyl-1-piperazinyl)ethylamine1-(2-氨乙基)-4-甲基哌嗪4-methylpiperazine-1-ethylamine2-(4-methyl-1-piperazinyl)ethanamine

IUPAC name

2-(4-methylpiperazin-1-yl)ethan-1-amine

Names and Identifiers

Registration numbers

PubChem CID

CAS Number

PubChem SID

MDL Number